1-Methoxypropan-2-yl hydrogen sulfate
Basic information
- CAS
85684-22-6- Standard SMILES
COCC(C)OS(=O)(=O)O- InChIKey
OTJBFMWZNNEQEW-UHFFFAOYSA-N- Molecular formula
- C4H10O5S
- Average molar mass
- 170.19 g/mol
- Monoisotopic mass
- 170.02489459
Names & identifiers
- Preferred name
- 1-Methoxypropan-2-yl hydrogen sulfate
- IUPAC
- 1-methoxypropan-2-yl hydrogen sulfate
Names & synonyms
85684-22-61-methoxypropan-2-yl hydrogen sulfate2-Propanol, 1-methoxy-, 2-(hydrogen sulfate)SCHEMBL646294DTXSID301006278
Database identifiers
- CAS
85684-22-6- PubChem CID
- 190066
- DTXSID
DTXSID301006278
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 81.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 167
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Related reactions
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Compound notes
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